9H-xanthene

C13H10O — CID 7107

IUPAC9H-xanthene
SMILESc1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
InChIKeyGJCOSYZMQJWQCA-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.38
Rot. Bonds

About 9H-xanthene

9H-xanthene (PubChem CID 7107) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 9H-xanthene.

Molecular Properties

Compound Name9H-xanthene
PubChem CID7107
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name9H-xanthene
SMILESc1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
InChIKeyGJCOSYZMQJWQCA-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9H-xanthene?
The IUPAC name of 9H-xanthene (CID 7107) is 9H-xanthene.
What is the SMILES notation for 9H-xanthene?
The canonical SMILES for 9H-xanthene is c1ccc2c(c1)Cc1ccccc1O2.
What is the InChIKey of 9H-xanthene?
The InChIKey is GJCOSYZMQJWQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2.
What are the key properties of 9H-xanthene?
9H-xanthene has a molecular weight of 182.22 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-xanthene is sourced from PubChem (CID 7107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).